Chemical Properties of Succinic acid, decyl 2-(3-nitrophenyl)ethyl ester

InChI

InChI=1S/C22H33NO6/c1-2-3-4-5-6-7-8-9-16-28-21(24)13-14-22(25)29-17-15-19-11-10-12-20(18-19)23(26)27/h10-12,18H,2-9,13-17H2,1H3

InChI Key

BNPPVKVCKIYJDJ-UHFFFAOYSA-N

Formula

C22H33NO6

SMILES

CCCCCCCCCCOC(=O)CCC(=O)OCCc1cccc([N+](=O)[O-])c1

Molecular Weight¹

407.51

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	66.49	kJ/mol	Joback Calculated Property
ΔvapH°	128.61	kJ/mol	Relay (1.0) Calculated Property
IE	9.26	eV	Relay (1.0) Calculated Property
log10WS	-6.01		Relay (1.0) Calculated Property
logPoct/wat	5.145		Crippen Calculated Property
McVol	329.380	ml/mol	McGowan Calculated Property
Pc	1117.06	kPa	Joback Calculated Property
Inp	[3089.00; 3089.00]
Inp	3089.00		NIST
Inp	3089.00		NIST
Tboil	679.23	K	Relay (1.0) Calculated Property
Tfus	297.55	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1096.26; 1150.97]	J/mol×K	[1002.90; 1228.52]
Cp,gas	1096.26	J/mol×K	1002.90	Joback Calculated Property
Cp,gas	1109.01	J/mol×K	1040.50	Joback Calculated Property
Cp,gas	1120.24	J/mol×K	1078.11	Joback Calculated Property
Cp,gas	1130.00	J/mol×K	1115.71	Joback Calculated Property
Cp,gas	1138.34	J/mol×K	1153.31	Joback Calculated Property
Cp,gas	1145.32	J/mol×K	1190.92	Joback Calculated Property
Cp,gas	1150.97	J/mol×K	1228.52	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, decyl 2-(3-nitrophenyl)ethyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.